Acetic Acid → HCID 10112525, compound

HRID 307071Notes

Reaction equation

HRID 307071 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:47][C:48](=[O:49])[OH:50].[F:24][c:25]1[cH:26][cH:27][c:28]([CH:29]=[O:30])[cH:31][cH:32]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[n:7][n:8][c:9]3[c:10]2[n:11][c:12]([NH2:20])[n:13][c:14]3-[c:15]2[o:16][cH:17][cH:18][cH:19]2)[cH:21][cH:22][cH:23]1.[Na+:46]>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][n:6]2[n:7][n:8][c:9]3[c:10]2[n:11][c:12]([NH2:20])[n:13][c:14]3-[c:15]2[o:16][cH:17][cH:18][cH:19]2)[cH:21][cH:22][cH:23]1)[CH2:29][c:28]1[cH:27][cH:26][c:25]([F:24])[cH:32][cH:31]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 680234-FluorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 9901171HCID 9901171, compound

Product 1

HCID 10112525HCID 10112525, compound

Sources & evidence

ORD record
ord-b6814eeebdb14603af86a82010cee32a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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